莰烯(79-92-5)紅外圖譜(IR1)

產(chǎn)品名稱:莰烯

CAS:79-92-5

分子式:C10H16

分子量: 136.23

InChI:InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3

InChIKey: CRPUJAZIXJMDBK-UHFFFAOYSA-N

Smiles:C12CC(CC1)C(=C)C2(C)C

Mass

MS-NW-7142          
camphene
C10H16              (Mass of molecular ion:    136)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0      13.7
      28.0       1.0
      29.0       6.5
      38.0       1.2
      39.0      21.0
      40.0       4.8
      41.0      30.8
      42.0       2.5
      43.0       7.2
      50.0       1.9
      51.0       6.4
      52.0       3.3
      53.0      13.1
      54.0       1.9
      55.0      11.2
      63.0       2.1
      65.0       7.4
      66.0       7.8
      67.0      28.4
      68.0      18.3
      69.0       7.6
      70.0       2.4
      77.0      20.1
      78.0       4.4
      79.0      36.4
      80.0      11.8
      81.0       8.2
      82.0       4.9
      91.0      21.7
      92.0      11.4
      93.0     100.0
      94.0      17.2
      95.0      18.8
      96.0       1.5
     103.0       1.0
     105.0       6.0
     106.0       2.0
     107.0      27.3
     108.0       8.5
     119.0       1.0
     121.0      63.4
     122.0       6.5
     136.0      15.1
     137.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₆	0.038 g : 0.5 ml CDCl₃
camphene

    Assign.     Shift(ppm)

      A     *1      4.717
      B     *1      4.492
      C             2.668
      D             1.898
      E     *2      1.69
      F     *3      1.64
      G     *2      1.394
      J     *3      1.24
      K             1.19
      L     *4      1.051
      M     *4      1.022
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1885.25   4.718    241
   1884.89   4.717    242
   1795.53   4.493    265
   1068.48   2.674     84
   1064.58   2.664     85
    759.89   1.902     84
    756.84   1.894     86
    686.65   1.719     39
    685.67   1.716     34
    683.96   1.712     84
    682.25   1.708     72
    680.30   1.703     88
    679.20   1.700     54
    678.59   1.698     51
    676.27   1.693     62
    674.07   1.687    111
    673.22   1.685    113
    672.24   1.683    115
    670.90   1.679    105
    666.87   1.669    112
    664.43   1.663     44
    663.21   1.660     36
    661.87   1.657     77
    658.33   1.648     64
    657.35   1.645     78
    653.93   1.637     46
    650.02   1.627     37
    646.48   1.618     36
    645.51   1.616     48
    641.97   1.607     34
    569.58   1.426     31
    565.43   1.415     59
    561.28   1.405     32
    557.62   1.396     50
    553.34   1.385     56
    552.49   1.383     69
    548.34   1.373     54
    497.92   1.246     34
    494.75   1.238     38
    491.82   1.231     62
    489.62   1.226     43
    489.14   1.224     43
    486.45   1.218    113
    485.11   1.214    128
    479.74   1.201     35
    478.88   1.199     34
    476.81   1.194     72
    475.46   1.190    117
    420.17   1.052    932
    408.69   1.023   1000

in CDCl3